ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate

C31H33NO6 — CID 68883694

IUPACethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2cccc(OCc3nc(-c4ccccc4)oc3C)c2)cc1OCC
InChIInChI=1S/C31H33NO6/c1-4-34-29-19-27(16-14-24(29)15-17-30(33)35-5-2)36-20-23-10-9-13-26(18-23)37-21-28-22(3)38-31(32-28)25-11-7-6-8-12-25/h6-14,16,18-19H,4-5,15,17,20-21H2,1-3H3
InChIKeyKWWQZLJAKFKCIQ-UHFFFAOYSA-N
MW515.61 g/mol
LogP6.70
Rot. Bonds13

About ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate

ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate (PubChem CID 68883694) has the molecular formula C31H33NO6 and a molecular weight of 515.61 g/mol. Its IUPAC name is ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
PubChem CID68883694
Molecular FormulaC31H33NO6
Molecular Weight515.61 g/mol
Exact Mass515.23
IUPAC Nameethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2cccc(OCc3nc(-c4ccccc4)oc3C)c2)cc1OCC
InChIInChI=1S/C31H33NO6/c1-4-34-29-19-27(16-14-24(29)15-17-30(33)35-5-2)36-20-23-10-9-13-26(18-23)37-21-28-22(3)38-31(32-28)25-11-7-6-8-12-25/h6-14,16,18-19H,4-5,15,17,20-21H2,1-3H3
InChIKeyKWWQZLJAKFKCIQ-UHFFFAOYSA-N
XLogP6.70
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate with MolForge

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Related Compounds

2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
CID 141039508
ethyl 3-[3-ethoxy-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021915
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
ethyl 3-[3-ethoxy-1-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoate
CID 23021936
2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid
CID 68909292
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
(2S)-3-[4-[[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-ethoxyphenyl]-2-ethoxypropanoic acid
CID 10005429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate (CID 68883694) is ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate is CCOC(=O)CCc1ccc(OCc2cccc(OCc3nc(-c4ccccc4)oc3C)c2)cc1OCC.
What is the InChIKey of ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate?
The InChIKey is KWWQZLJAKFKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO6/c1-4-34-29-19-27(16-14-24(29)15-17-30(33)35-5-2)36-20-23-10-9-13-26(18-23)37-21-28-22(3)38-31(32-28)25-11-7-6-8-12-25/h6-14,16,18-19H,4-5,15,17,20-21H2,1-3H3.
What are the key properties of ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate?
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate has a molecular weight of 515.61 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 68883694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).